[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone

Systemtic Name: [4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone Openeye Name: [4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone CAS Name: [4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: [4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone Traditional Name: [4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone Formula: C21H26BrN2O4+ MolecularWeight: 450.34614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC)Br

InChI

InChI=1S/C21H25BrN2O4/c1-26-17-11-16(12-18(13-17)27-2)21(25)24-8-6-23(7-9-24)14-15-4-5-20(28-3)19(22)10-15/h4-5,10-13H,6-9,14H2,1-3H3/p+1